HRID2138021

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID45073596

Quinoxalin-6-ylboronic acid

C8H7BN2O2

HCID46739925

未命名化合物

PRODUCTS

生成物

结构：FC(F)(F)c1ccc(Nc2cc(-c3ccc4nccnc4c3)ncn2)cc1

HCID11257128

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-30a09b384bd94187917649966353306a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:33](=[O:34])([O-:35])[O-:36].[CH3:80][CH2:81][OH:82].[Cl:1][c:2]1[cH:3][c:4]([NH:8][c:9]2[cH:10][cH:11][c:12]([C:15]([F:16])([F:17])[F:18])[cH:13][cH:14]2)[n:5][cH:6][n:7]1.[ClH:19].[Na+:37].[Na+:38].[Pd:39]([Cl:40])[Cl:41].[c:42]1([P:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[cH:56][cH:57][cH:58][cH:59][cH:60]1.[c:61]1([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[cH:75][cH:76][cH:77][cH:78][cH:79]1.[n:20]1[cH:21][cH:22][n:23][c:24]2[c:25]1[cH:26][cH:27][c:28]([B:30]([OH:31])[OH:32])[cH:29]2>>[c:2]1(-[c:28]2[cH:27][cH:26][c:25]3[n:20][cH:21][cH:22][n:23][c:24]3[cH:29]2)[cH:3][c:4]([NH:8][c:9]2[cH:10][cH:11][c:12]([C:15]([F:16])([F:17])[F:18])[cH:13][cH:14]2)[n:5][cH:6][n:7]1